4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine

C14H15Cl2NO2 — CID 27241388

IUPAC4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine
SMILESClc1ccc(Cl)c(OCC#CCN2CCOCC2)c1
InChIInChI=1S/C14H15Cl2NO2/c15-12-3-4-13(16)14(11-12)19-8-2-1-5-17-6-9-18-10-7-17/h3-4,11H,5-10H2
InChIKeyIAVOCFHPRMGVHZ-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.71
Rot. Bonds3

About 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine

4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine (PubChem CID 27241388) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.18 g/mol. Its IUPAC name is 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine
PubChem CID27241388
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.18 g/mol
Exact Mass299.05
IUPAC Name4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine
SMILESClc1ccc(Cl)c(OCC#CCN2CCOCC2)c1
InChIInChI=1S/C14H15Cl2NO2/c15-12-3-4-13(16)14(11-12)19-8-2-1-5-17-6-9-18-10-7-17/h3-4,11H,5-10H2
InChIKeyIAVOCFHPRMGVHZ-UHFFFAOYSA-N
XLogP2.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764
3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
CID 71792689
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
2-(2,5-dichlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 52507381
2-(2,5-dichlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 51139074
1-[(4-chlorophenyl)methyl]-3-(4-morpholin-4-ylbut-2-ynyl)urea
CID 71792728
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
2,4-dichloro-N-(morpholin-4-ylmethyl)aniline
CID 4525296

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine?
The IUPAC name of 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine (CID 27241388) is 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine.
What is the SMILES notation for 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine?
The canonical SMILES for 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine is Clc1ccc(Cl)c(OCC#CCN2CCOCC2)c1.
What is the InChIKey of 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine?
The InChIKey is IAVOCFHPRMGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-12-3-4-13(16)14(11-12)19-8-2-1-5-17-6-9-18-10-7-17/h3-4,11H,5-10H2.
What are the key properties of 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine?
4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine has a molecular weight of 300.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine is sourced from PubChem (CID 27241388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).